| Author Name | Affiliation | | Chunhui Cao | Shanghai Institute of Microsystem of Information Technology, Shanghai 200050, China
University of Chinese Academy of Sciences, Beijing 100049, China | | Jian Zhang | Shanghai Institute of Microsystem of Information Technology, Shanghai 200050, China | | Chuanzheng Yang | Shanghai Institute of Microsystem of Information Technology, Shanghai 200050, China | | Baojia Xia | Shanghai Institute of Microsystem of Information Technology, Shanghai 200050, China |
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| Abstract: |
| After describing research status of super-structure for Li(Ni1/3Co1/3Mn1/3)O2, diffraction patterns of Li(Ni1/3Co1/3Mn1/3)O2 in different order parameters have been researched by Powder-cell program, including crystal structure, X-ray and neutron diffraction pattern, anomalous diffraction pattern and comparison of Ni Co Mn in different positions. The influence of order parameters on intensity of matrix and super-lattice diffraction lines has also been analyzed and the summarization and prospect have been made lastly. |
| Key words: Li(Ni1/3Co1/3Mn1/3)O2 order-disorder diffraction |
| DOI：10.11916/j.issn.1005-9113.17009 |
| Clc Number:O721 |
| Fund: |
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| Descriptions in Chinese: |
| Li(Ni1/3Co1/3Mn1/3)O2的(3b)位有序-无序效应研究 曹春晖1,2, 张建1, 杨传铮1, 夏保佳1 （1.上海微系统与信息技术研究所，上海 200050； 2.中国科学院大学， 北京100049） 创新点说明：提出了有序度的概念，通过理论模拟了过渡金属在3b位不同有序度下的衍射情况。 研究目的： 借助理论衍射研究镍钴锰在三元材料中的占位情况，为实际得到的衍射数据分析起指导作用。 研究方法和结果： 借助Powercell程序模拟不同结构下的衍射情况。结果表明：对于Li(Ni1/3Co1/3Mn1/3)O2，基体衍射线的强度不随有序度而变化，有序度增加时，超点阵衍射线强度增加，但是即使对于有序度最大时，超点阵线的相对强度只有0.225%和0.043%。 结论： 3b位的有序无序很难通过常规的衍射实验观测到，必须提高X射线源的强度才可能观测到。 关键词：Li(Ni1/3Co1/3Mn1/3)O2, 有序-无序，超结构，衍射 |
